From normal to anomalous diffusion of water molecules in narrow carbon nanotubes with defects, gases, and salts

• Published in: Europhysics letters Vol. 139; no. 5; pp. 51002 - 51008
• Main Authors: Wang, Yangjie, Chen, Jige
• Format: Journal Article
• Language: English
• Published: Les Ulis EDP Sciences, IOP Publishing and Società Italiana di Fisica 01.09.2022; IOP Publishing
• Subjects: Carbon nanotubes; Defects; Distribution functions; Gases; Levy distribution; Molecular dynamics; Nanochannels; Parameters; Probability distribution functions; Water chemistry

Abstract In this letter, we study the diffusion of water molecules inside narrow carbon nanotubes in the presence of nanotube defects, gas molecules and salt ions by using molecular dynamics simulations. Mean square displacement (MSD) with a power-law fitting parameter , and the probability distribu...